N-(3-methylbutyl)-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide

C18H27N3O2 — CID 4095945

IUPACN-(3-methylbutyl)-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
SMILESCc1cccc(CN2CCN(CC(=O)NCCC(C)C)C2=O)c1
InChIInChI=1S/C18H27N3O2/c1-14(2)7-8-19-17(22)13-21-10-9-20(18(21)23)12-16-6-4-5-15(3)11-16/h4-6,11,14H,7-10,12-13H2,1-3H3,(H,19,22)
InChIKeyKDAVPUPFGGORQS-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.39
Rot. Bonds7

About N-(3-methylbutyl)-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide

N-(3-methylbutyl)-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide (PubChem CID 4095945) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
PubChem CID4095945
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-(3-methylbutyl)-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
SMILESCc1cccc(CN2CCN(CC(=O)NCCC(C)C)C2=O)c1
InChIInChI=1S/C18H27N3O2/c1-14(2)7-8-19-17(22)13-21-10-9-20(18(21)23)12-16-6-4-5-15(3)11-16/h4-6,11,14H,7-10,12-13H2,1-3H3,(H,19,22)
InChIKeyKDAVPUPFGGORQS-UHFFFAOYSA-N
XLogP2.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 15994323
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 20851373
N-cyclopentyl-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 3575531
N-(4-acetamidophenyl)-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063997
N-(2-cyanoethyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 18124456
N-[(2-methoxyphenyl)methyl]-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063982
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-methylbutyl)acetamide
CID 7819706
N-(3-methylbutyl)-2-[2-(3-methylphenyl)ethylamino]propanamide
CID 62312844
4-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 134063149
1-N-(3-methylbutyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054298
4-[(2R)-2-hydroxypropanoyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
CID 95870160
2-methyl-4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]butanoic acid
CID 80538249

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide (CID 4095945) is N-(3-methylbutyl)-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide is Cc1cccc(CN2CCN(CC(=O)NCCC(C)C)C2=O)c1.
What is the InChIKey of N-(3-methylbutyl)-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The InChIKey is KDAVPUPFGGORQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14(2)7-8-19-17(22)13-21-10-9-20(18(21)23)12-16-6-4-5-15(3)11-16/h4-6,11,14H,7-10,12-13H2,1-3H3,(H,19,22).
What are the key properties of N-(3-methylbutyl)-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
N-(3-methylbutyl)-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide has a molecular weight of 317.43 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 4095945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).